3,5,5-trimethyl-N-(5-{[(4-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)hexanamide
Chemical Structure Depiction of
3,5,5-trimethyl-N-(5-{[(4-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)hexanamide
3,5,5-trimethyl-N-(5-{[(4-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)hexanamide
Compound characteristics
| Compound ID: | V002-7445 |
| Compound Name: | 3,5,5-trimethyl-N-(5-{[(4-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)hexanamide |
| Molecular Weight: | 377.57 |
| Molecular Formula: | C19 H27 N3 O S2 |
| Smiles: | CC(CC(Nc1nnc(SCc2ccc(C)cc2)s1)=O)CC(C)(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8051 |
| logD: | 5.8015 |
| logSw: | -5.4007 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.022 |
| InChI Key: | BVMIVVFOZRHCMU-CQSZACIVSA-N |